data_3kui_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3kui _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 120.786 0.327 . . . . 63.26 110.671 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 30.4 p -117.94 158.55 24.7 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.773 -0.454 . . . . 64.21 109.773 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -63.3 -23.93 67.63 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.052 0.453 . . . . 66.01 110.755 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 18.3 m -68.6 -47.53 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.934 -0.575 . . . . 66.54 109.652 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 97.6 mtp -57.47 -32.99 67.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.64 . . . . 70.23 109.578 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 19.7 mt -71.35 -42.24 68.76 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.307 1.595 . . . . 63.49 115.307 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.486 -0.561 . . . . 62.33 109.486 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 27.8 m -61.4 -30.02 70.29 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.235 0.828 . . . . 63.82 113.235 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -101.07 169.07 8.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.027 0.441 . . . . 61.58 111.631 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -90.61 162.19 4.29 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.028 1.819 . . . . 61.17 109.811 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -35.31 -76.38 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 124.369 3.379 . . . . 60.16 117.04 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.85 -47.45 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.323 0.86 . . . . 73.4 113.323 -179.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -74.33 -19.06 60.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.553 1.316 . . . . 56.43 114.553 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.2 -33.73 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 53.67 110.791 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.13 -41.33 74.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.173 -1.047 . . . . 43.13 108.173 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.86 -42.68 89.97 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.534 0.683 . . . . 48.64 109.296 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 18.1 ttm -63.07 -44.21 96.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 50.99 110.323 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.561 -0.745 . . . . 40.87 112.57 179.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -61.14 -34.27 87.37 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.562 -0.828 . . . . 38.86 112.297 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.33 -33.64 75.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.269 0.556 . . . . 49.69 111.787 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -83.31 -29.95 27.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 58.74 110.377 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.19 -36.7 24.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 115.102 1.519 . . . . 36.13 115.102 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -51.38 -54.45 38.56 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 117.179 2.289 . . . . 34.28 117.179 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -53.75 -36.61 82.74 Favored 'Trans proline' 0 C--O 1.233 0.251 0 N-CA-C 114.527 0.933 . . . . 37.5 114.527 -179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.77 -45.94 48.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 32.44 112.251 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.53 -31.71 53.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.265 0.555 . . . . 32.7 109.531 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.83 -42.28 90.74 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 115.737 -0.665 . . . . 36.22 111.061 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.62 68.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.288 0.566 . . . . 35.52 110.637 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' MET . . . . . . . . . . . . . 81.1 mtp -78.2 -41.64 33.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.481 -0.781 . . . . 43.99 112.845 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.31 91.2 9.93 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 109.305 -0.628 . . . . 36.37 109.305 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.0 -38.24 96.53 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.558 2.172 . . . . 39.13 115.52 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' THR . . . . . . . . . . . . . 12.1 p -86.56 -45.05 11.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 115.178 1.547 . . . . 47.83 115.178 -178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.76 -2.3 50.22 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.029 1.122 . . . . 38.02 114.029 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -43.27 -55.81 3.82 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 116.087 1.884 . . . . 36.37 116.087 -177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.53 -51.61 31.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 114.341 0.497 . . . . 35.89 114.341 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' B' ' 73' ' ' ALA . 52.9 tptt -61.85 -55.09 33.48 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.961 0.904 . . . . 40.07 112.881 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.04 -48.59 52.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.092 0.472 . . . . 40.02 110.414 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' THR . . . . . . . . . . . . . 91.9 m -54.56 -52.01 63.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.178 -1.045 . . . . 38.52 108.178 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -52.41 -45.28 58.84 Favored Glycine 0 CA--C 1.522 0.488 0 C-N-CA 120.719 -0.753 . . . . 42.69 112.567 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.13 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.512 0.56 . . . . 43.07 112.512 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 mt -74.24 -26.46 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.731 1.382 . . . . 44.78 114.731 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.69 5.22 1.13 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.053 1.501 . . . . 43.0 115.053 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -106.05 19.42 20.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.662 0.744 . . . . 46.54 109.437 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 589' ' ' ASP . 75.1 mt -106.95 164.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.393 -1.276 . . . . 51.34 110.494 -178.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 588' ' ' ILE . 60.8 m-20 -52.08 131.31 31.78 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.005 -0.739 . . . . 55.74 109.005 179.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 594' ' ' LEU . 81.5 m-20 -63.47 -38.37 90.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.597 -1.26 . . . . 51.71 107.597 178.891 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 45.1 p -54.81 -38.84 67.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 45.86 109.901 179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 592' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 15' ' ' HOH . 50.8 tt0 -82.77 -31.07 28.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.571 -0.451 . . . . 51.43 109.809 178.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 28.1 mt -65.84 -34.74 78.84 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.692 -1.595 . . . . 43.3 106.692 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 594' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 590' ' ' ASN . 27.4 mt -67.39 -35.04 78.52 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.342 -0.984 . . . . 44.84 108.342 178.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -68.42 -42.49 78.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.107 -0.951 . . . . 40.64 110.636 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 61.0 mtm -65.96 -32.68 74.3 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.149 -0.478 . . . . 51.15 111.409 -178.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.31 -5.61 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.566 0.541 . . . . 48.87 110.808 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.49 -9.8 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 63.8 109.915 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 23.7 t -128.92 101.49 19.92 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.85 -0.613 . . . . 45.47 110.373 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.03 -49.97 9.96 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.075 2.517 . . . . 41.65 112.483 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -53.43 -39.12 64.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.86 -0.793 . . . . 56.18 108.86 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' SER . . . . . . . . . . . . . 19.0 m -68.95 -45.64 70.23 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.488 0.661 . . . . 45.43 110.739 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.3 -50.96 71.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.118 -0.697 . . . . 40.21 109.118 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -58.18 -46.41 85.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.347 0.594 . . . . 43.27 111.113 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 29.7 t -56.61 -42.23 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.772 -0.649 . . . . 44.97 110.661 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -70.48 -38.55 74.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.999 0.428 . . . . 40.32 110.345 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.77 -50.32 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 115.903 -0.589 . . . . 43.68 110.981 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -58.31 -34.58 70.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.602 -0.439 . . . . 45.82 111.474 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.31 -50.08 67.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.361 -1.348 . . . . 49.87 107.361 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.256 -0.429 . . . . 39.29 110.987 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.97 -43.46 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.077 0.465 . . . . 38.78 111.312 -179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.64 54.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.284 0.846 . . . . 40.25 113.284 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.07 -41.49 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.734 0 CA-C-O 121.781 0.801 . . . . 42.49 111.377 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.56 -46.29 80.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.631 -1.168 . . . . 52.01 110.422 179.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -72.96 -38.46 66.73 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 113.644 0.979 . . . . 60.37 113.644 -179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.85 87.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.465 -0.939 . . . . 48.43 108.465 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.88 -60.53 2.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.427 -0.909 . . . . 50.63 110.172 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -49.76 -45.73 49.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.424 -0.807 . . . . 69.26 112.085 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.26 74.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.343 -0.614 . . . . 64.21 109.343 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 620' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -63.48 -52.5 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.061 -0.718 . . . . 72.4 109.061 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -63.91 -3.8 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 79.65 111.669 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.35 -43.69 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.314 0.487 . . . . 83.42 112.314 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 88.51 111.434 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 624' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -94.9 -54.84 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.036 1.124 . . . . 95.23 114.036 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 54.1 tttm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.244 -0.884 . . . . 91.48 110.699 -179.757 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 120.321 0.105 . . . . 62.14 110.89 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . . . -131.03 128.33 40.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.651 -0.87 . . . . 59.17 108.651 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.17 145.57 44.84 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.804 1.779 . . . . 52.37 115.804 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -98.86 113.43 25.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.58 -0.737 . . . . 44.48 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 9.7 m -72.05 -9.57 13.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 N-CA-C 112.631 0.604 . . . . 41.34 112.631 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.74 15.27 29.17 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.844 0.683 . . . . 41.75 112.844 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ALA . . . . . 0.464 ' O ' ' NZ ' ' A' ' 580' ' ' LYS . . . -66.4 141.3 57.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.876 -0.787 . . . . 42.77 108.876 178.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.59 131.28 94.77 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 116.39 -0.368 . . . . 58.75 110.086 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -59.78 146.06 96.59 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.284 1.323 . . . . 43.18 110.614 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.77 154.05 20.59 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.049 -1.093 . . . . 40.21 108.049 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.73 125.48 18.42 Favored Pre-proline 0 C--O 1.238 0.495 0 CA-C-O 121.561 0.696 . . . . 49.86 109.801 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -56.41 164.88 4.93 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.008 3.139 . . . . 48.68 114.914 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 117.342 -1.313 . . . . 53.01 111.093 179.506 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . 0.427 ' O ' ' CG ' ' A' ' 592' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' LEU . . . . . 0.653 HD23 ' NE ' ' A' ' 565' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 120.786 0.327 . . . . 63.259999999999998 110.671 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 30.4 p -117.94 158.55 24.7 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.773 -0.454 . . . . 64.209999999999994 109.773 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -63.3 -23.93 67.63 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.052 0.453 . . . . 66.010000000000005 110.755 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 18.3 m -68.6 -47.53 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.934 -0.575 . . . . 66.540000000000006 109.652 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 97.6 mtp -57.47 -32.99 67.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.64 . . . . 70.230000000000004 109.578 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 550' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 562' ' ' LEU . 19.7 mt -71.35 -42.24 68.76 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.307 1.595 . . . . 63.490000000000002 115.307 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.486 -0.561 . . . . 62.329999999999998 109.486 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 27.8 m -61.4 -30.02 70.29 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.235 0.828 . . . . 63.82 113.235 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 553' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 554' ' ' PRO . . . -101.07 169.07 8.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.027 0.441 . . . . 61.579999999999998 111.631 -179.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 554' ' ' PRO . . . . . 0.554 ' HG2' ' HG3' ' A' ' 557' ' ' GLU . 24.9 Cg_endo -90.61 162.19 4.29 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.028 1.819 . . . . 61.170000000000002 109.811 179.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 555' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 554' ' ' PRO . 61.4 Cg_endo -35.31 -76.38 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 124.369 3.379 . . . . 60.159999999999997 117.04 -179.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 556' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -39.85 -47.45 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.323 0.86 . . . . 73.400000000000006 113.323 -179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 557' ' ' GLU . . . . . 0.554 ' HG3' ' HG2' ' A' ' 554' ' ' PRO . 13.2 mt-10 -74.33 -19.06 60.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.553 1.316 . . . . 56.43 114.553 -178.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.2 -33.73 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 53.670000000000002 110.791 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.13 -41.33 74.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.173 -1.047 . . . . 43.130000000000003 108.173 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.86 -42.68 89.97 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.534 0.683 . . . . 48.640000000000001 109.296 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 561' ' ' MET . . . . . 0.561 ' HG2' HD21 ' A' ' 545' ' ' LEU . 18.1 ttm -63.07 -44.21 96.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 50.990000000000002 110.323 -179.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 562' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 550' ' ' LEU . 0.4 OUTLIER -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.561 -0.745 . . . . 40.869999999999997 112.57 179.643 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -61.14 -34.27 87.37 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.562 -0.828 . . . . 38.859999999999999 112.297 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.33 -33.64 75.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.269 0.556 . . . . 49.689999999999998 111.787 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 565' ' ' ARG . . . . . 0.653 ' NE ' HD23 ' A' ' 545' ' ' LEU . 15.5 mmt180 -83.31 -29.95 27.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 58.740000000000002 110.377 -178.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.19 -36.7 24.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 115.102 1.519 . . . . 36.130000000000003 115.102 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 567' ' ' PHE . . . . . 0.592 ' HB3' ' HD3' ' A' ' 568' ' ' PRO . 74.8 t80 -51.38 -54.45 38.56 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 117.179 2.289 . . . . 34.280000000000001 117.179 -178.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 568' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 567' ' ' PHE . 87.9 Cg_exo -53.75 -36.61 82.74 Favored 'Trans proline' 0 C--O 1.233 0.251 0 N-CA-C 114.527 0.933 . . . . 37.5 114.527 -179.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.77 -45.94 48.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 32.439999999999998 112.251 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.53 -31.71 53.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.265 0.555 . . . . 32.700000000000003 109.531 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.83 -42.28 90.74 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 115.737 -0.665 . . . . 36.219999999999999 111.061 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.62 68.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.288 0.566 . . . . 35.520000000000003 110.637 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 573' ' ' MET . . . . . 0.582 ' HE1' ' HA ' ' A' ' 604' ' ' ARG . 81.1 mtp -78.2 -41.64 33.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.481 -0.781 . . . . 43.990000000000002 112.845 -179.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.31 91.2 9.93 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 109.305 -0.628 . . . . 36.369999999999997 109.305 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 575' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.0 -38.24 96.53 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.558 2.172 . . . . 39.130000000000003 115.52 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 576' ' ' THR . . . . . . . . . . . . . 12.1 p -86.56 -45.05 11.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 115.178 1.547 . . . . 47.829999999999998 115.178 -178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.76 -2.3 50.22 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.029 1.122 . . . . 38.020000000000003 114.029 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -43.27 -55.81 3.82 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 116.087 1.884 . . . . 36.369999999999997 116.087 -177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.53 -51.61 31.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 114.341 0.497 . . . . 35.890000000000001 114.341 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -61.85 -55.09 33.48 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.961 0.904 . . . . 40.07 112.881 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.04 -48.59 52.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.092 0.472 . . . . 40.020000000000003 110.414 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 582' ' ' THR . . . . . . . . . . . . . 91.9 m -54.56 -52.01 63.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.178 -1.045 . . . . 38.520000000000003 108.178 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -52.41 -45.28 58.84 Favored Glycine 0 CA--C 1.522 0.488 0 C-N-CA 120.719 -0.753 . . . . 42.689999999999998 112.567 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 584' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.13 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.512 0.56 . . . . 43.07 112.512 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 mt -74.24 -26.46 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.731 1.382 . . . . 44.780000000000001 114.731 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.69 5.22 1.13 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.053 1.501 . . . . 43.0 115.053 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -106.05 19.42 20.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.662 0.744 . . . . 46.539999999999999 109.437 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 588' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 589' ' ' ASP . 75.1 mt -106.95 164.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.393 -1.276 . . . . 51.340000000000003 110.494 -178.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 589' ' ' ASP . . . . . 0.472 ' N ' HG22 ' A' ' 588' ' ' ILE . 60.8 m-20 -52.08 131.31 31.78 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.005 -0.739 . . . . 55.740000000000002 109.005 179.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 590' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.47 -38.37 90.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.597 -1.26 . . . . 51.710000000000001 107.597 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 45.1 p -54.81 -38.84 67.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 45.859999999999999 109.901 179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 592' ' ' GLU . . . . . 0.803 ' HG3' ' O ' ' A' ' 15' ' ' HOH . 50.8 tt0 -82.77 -31.07 28.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.571 -0.451 . . . . 51.43 109.809 178.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 593' ' ' LEU . . . . . 0.818 HD23 ' HE3' ' A' ' 596' ' ' MET . 28.1 mt -65.84 -34.74 78.84 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.692 -1.595 . . . . 43.299999999999997 106.692 178.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.39 -35.04 78.52 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.342 -0.984 . . . . 44.840000000000003 108.342 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -68.42 -42.49 78.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.107 -0.951 . . . . 40.640000000000001 110.636 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 596' ' ' MET . . . . . 0.818 ' HE3' HD23 ' A' ' 593' ' ' LEU . 61.0 mtm -65.96 -32.68 74.3 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.149 -0.478 . . . . 51.149999999999999 111.409 -178.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.31 -5.61 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.566 0.541 . . . . 48.869999999999997 110.808 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.49 -9.8 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 63.799999999999997 109.915 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 23.7 t -128.92 101.49 19.92 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.85 -0.613 . . . . 45.469999999999999 110.373 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.03 -49.97 9.96 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.075 2.517 . . . . 41.649999999999999 112.483 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -53.43 -39.12 64.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.86 -0.793 . . . . 56.18 108.86 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' SER . . . . . . . . . . . . . 19.0 m -68.95 -45.64 70.23 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.488 0.661 . . . . 45.43 110.739 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 603' ' ' LEU . . . . . 0.622 ' O ' HG23 ' A' ' 607' ' ' VAL . 51.1 tp -60.3 -50.96 71.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.118 -0.697 . . . . 40.210000000000001 109.118 178.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 604' ' ' ARG . . . . . 0.582 ' HA ' ' HE1' ' A' ' 573' ' ' MET . 43.6 ttp180 -58.18 -46.41 85.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.347 0.594 . . . . 43.270000000000003 111.113 -178.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 29.7 t -56.61 -42.23 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.772 -0.649 . . . . 44.969999999999999 110.661 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -70.48 -38.55 74.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.999 0.428 . . . . 40.32 110.345 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 607' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 603' ' ' LEU . 93.3 t -61.77 -50.32 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 115.903 -0.589 . . . . 43.68 110.981 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -58.31 -34.58 70.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.602 -0.439 . . . . 45.82 111.474 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.31 -50.08 67.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.361 -1.348 . . . . 49.869999999999997 107.361 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 610' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 614' ' ' LEU . . . -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.256 -0.429 . . . . 39.289999999999999 110.987 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 611' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 615' ' ' GLN . 45.0 t -62.97 -43.46 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.077 0.465 . . . . 38.780000000000001 111.312 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.64 54.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.284 0.846 . . . . 40.25 113.284 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.07 -41.49 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.734 0 CA-C-O 121.781 0.801 . . . . 42.490000000000002 111.377 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 614' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 0.7 OUTLIER -56.56 -46.29 80.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.631 -1.168 . . . . 52.009999999999998 110.422 179.576 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 615' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 611' ' ' VAL . 83.6 mt-30 -72.96 -38.46 66.73 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 113.644 0.979 . . . . 60.369999999999997 113.644 -179.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.85 87.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.465 -0.939 . . . . 48.43 108.465 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HIS . . . . . 0.549 ' O ' ' HB3' ' A' ' 620' ' ' LYS . 37.1 t60 -64.88 -60.53 2.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.427 -0.909 . . . . 50.630000000000003 110.172 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 618' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 614' ' ' LEU . 77.5 mt-30 -49.76 -45.73 49.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.424 -0.807 . . . . 69.260000000000005 112.085 -179.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.26 74.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.343 -0.614 . . . . 64.209999999999994 109.343 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 620' ' ' LYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 617' ' ' HIS . 79.8 tttt -63.48 -52.5 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.061 -0.718 . . . . 72.400000000000006 109.061 179.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 621' ' ' GLU . . . . . 0.695 ' O ' ' HB3' ' A' ' 625' ' ' LYS . 41.2 mm-40 -63.91 -3.8 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 79.650000000000006 111.669 179.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.35 -43.69 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.314 0.487 . . . . 83.420000000000002 112.314 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 88.510000000000005 111.434 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 624' ' ' GLN . . . . . 0.583 ' OE1' ' HA ' ' A' ' 621' ' ' GLU . 0.0 OUTLIER -94.9 -54.84 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.036 1.124 . . . . 95.230000000000004 114.036 -179.433 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 625' ' ' LYS . . . . . 0.695 ' HB3' ' O ' ' A' ' 621' ' ' GLU . 54.1 tttm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.244 -0.884 . . . . 91.480000000000004 110.699 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 120.321 0.105 . . . . 62.140000000000001 110.89 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLN . . . . . 0.411 ' O ' HD12 ' B' ' 69' ' ' LEU . . . -131.03 128.33 40.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.651 -0.87 . . . . 59.170000000000002 108.651 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . 0.411 HD12 ' O ' ' B' ' 68' ' ' GLN . 6.7 mp -118.17 145.57 44.84 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.804 1.779 . . . . 52.369999999999997 115.804 -178.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -98.86 113.43 25.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.58 -0.737 . . . . 44.479999999999997 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 9.7 m -72.05 -9.57 13.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 N-CA-C 112.631 0.604 . . . . 41.340000000000003 112.631 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.74 15.27 29.17 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.844 0.683 . . . . 41.75 112.844 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 141.3 57.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.876 -0.787 . . . . 42.770000000000003 108.876 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.59 131.28 94.77 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 116.39 -0.368 . . . . 58.75 110.086 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -59.78 146.06 96.59 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.284 1.323 . . . . 43.18 110.614 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.77 154.05 20.59 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.049 -1.093 . . . . 40.210000000000001 108.049 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.73 125.48 18.42 Favored Pre-proline 0 C--O 1.238 0.495 0 CA-C-O 121.561 0.696 . . . . 49.859999999999999 109.801 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -56.41 164.88 4.93 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.008 3.139 . . . . 48.68 114.914 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 117.342 -1.313 . . . . 53.009999999999998 111.093 179.506 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 627' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . 0.803 ' O ' ' HG3' ' A' ' 592' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.653 HD23 ' NE ' ' A' ' 565' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 120.786 0.327 . . . . 63.259999999999998 110.671 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 30.4 p -117.94 158.55 24.7 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.773 -0.454 . . . . 64.209999999999994 109.773 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -63.3 -23.93 67.63 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.052 0.453 . . . . 66.010000000000005 110.755 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 18.3 m -68.6 -47.53 66.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.934 -0.575 . . . . 66.540000000000006 109.652 179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 97.6 mtp -57.47 -32.99 67.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.793 -0.64 . . . . 70.230000000000004 109.578 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 562' ' ' LEU . 19.7 mt -71.35 -42.24 68.76 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 115.307 1.595 . . . . 63.490000000000002 115.307 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.23 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.486 -0.561 . . . . 62.329999999999998 109.486 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 27.8 m -61.4 -30.02 70.29 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.235 0.828 . . . . 63.82 113.235 -179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 554' ' ' PRO . . . -101.07 169.07 8.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.027 0.441 . . . . 61.579999999999998 111.631 -179.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' PRO . . . . . 0.554 ' HG2' ' HG3' ' A' ' 557' ' ' GLU . 24.9 Cg_endo -90.61 162.19 4.29 Favored 'Trans proline' 0 N--CA 1.464 -0.265 0 C-N-CA 122.028 1.819 . . . . 61.170000000000002 109.811 179.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 554' ' ' PRO . 61.4 Cg_endo -35.31 -76.38 0.03 OUTLIER 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 124.369 3.379 . . . . 60.159999999999997 117.04 -179.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' GLN . . . . . 0.605 ' HA ' HE21 ' A' ' 556' ' ' GLN . 0.9 OUTLIER -39.85 -47.45 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.323 0.86 . . . . 73.400000000000006 113.323 -179.089 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.554 ' HG3' ' HG2' ' A' ' 554' ' ' PRO . 13.2 mt-10 -74.33 -19.06 60.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.553 1.316 . . . . 56.43 114.553 -178.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.2 -33.73 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 53.670000000000002 110.791 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -70.13 -41.33 74.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.173 -1.047 . . . . 43.130000000000003 108.173 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.86 -42.68 89.97 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.534 0.683 . . . . 48.640000000000001 109.296 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' MET . . . . . 0.561 ' HG2' HD21 ' A' ' 545' ' ' LEU . 18.1 ttm -63.07 -44.21 96.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.216 -0.902 . . . . 50.990000000000002 110.323 -179.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 550' ' ' LEU . 0.4 OUTLIER -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.561 -0.745 . . . . 40.869999999999997 112.57 179.643 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -61.14 -34.27 87.37 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.562 -0.828 . . . . 38.859999999999999 112.297 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.33 -33.64 75.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.269 0.556 . . . . 49.689999999999998 111.787 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' ARG . . . . . 0.653 ' NE ' HD23 ' A' ' 545' ' ' LEU . 15.5 mmt180 -83.31 -29.95 27.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 58.740000000000002 110.377 -178.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.19 -36.7 24.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 115.102 1.519 . . . . 36.130000000000003 115.102 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' PHE . . . . . 0.592 ' HB3' ' HD3' ' A' ' 568' ' ' PRO . 74.8 t80 -51.38 -54.45 38.56 Favored Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 117.179 2.289 . . . . 34.280000000000001 117.179 -178.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 567' ' ' PHE . 87.9 Cg_exo -53.75 -36.61 82.74 Favored 'Trans proline' 0 C--O 1.233 0.251 0 N-CA-C 114.527 0.933 . . . . 37.5 114.527 -179.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.77 -45.94 48.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 32.439999999999998 112.251 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 17.8 mt -67.53 -31.71 53.85 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.645 0 CA-C-O 121.265 0.555 . . . . 32.700000000000003 109.531 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -65.83 -42.28 90.74 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 115.737 -0.665 . . . . 36.219999999999999 111.061 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.62 68.19 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.288 0.566 . . . . 35.520000000000003 110.637 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' MET . . . . . 0.582 ' HE1' ' HA ' ' A' ' 604' ' ' ARG . 81.1 mtp -78.2 -41.64 33.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.481 -0.781 . . . . 43.990000000000002 112.845 -179.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -140.31 91.2 9.93 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 109.305 -0.628 . . . . 36.369999999999997 109.305 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.0 -38.24 96.53 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.558 2.172 . . . . 39.130000000000003 115.52 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' THR . . . . . . . . . . . . . 12.1 p -86.56 -45.05 11.43 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 115.178 1.547 . . . . 47.829999999999998 115.178 -178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.76 -2.3 50.22 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 114.029 1.122 . . . . 38.020000000000003 114.029 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -43.27 -55.81 3.82 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 116.087 1.884 . . . . 36.369999999999997 116.087 -177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.53 -51.61 31.85 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 114.341 0.497 . . . . 35.890000000000001 114.341 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -61.85 -55.09 33.48 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.961 0.904 . . . . 40.07 112.881 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.04 -48.59 52.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.092 0.472 . . . . 40.020000000000003 110.414 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' THR . . . . . . . . . . . . . 91.9 m -54.56 -52.01 63.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.178 -1.045 . . . . 38.520000000000003 108.178 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -52.41 -45.28 58.84 Favored Glycine 0 CA--C 1.522 0.488 0 C-N-CA 120.719 -0.753 . . . . 42.689999999999998 112.567 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' MET . . . . . . . . . . . . . 89.9 mtp -62.13 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.512 0.56 . . . . 43.07 112.512 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 28.3 mt -74.24 -26.46 60.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.731 1.382 . . . . 44.780000000000001 114.731 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.69 5.22 1.13 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.053 1.501 . . . . 43.0 115.053 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -106.05 19.42 20.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.662 0.744 . . . . 46.539999999999999 109.437 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 589' ' ' ASP . 75.1 mt -106.95 164.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.393 -1.276 . . . . 51.340000000000003 110.494 -178.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' ASP . . . . . 0.472 ' N ' HG22 ' A' ' 588' ' ' ILE . 60.8 m-20 -52.08 131.31 31.78 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.005 -0.739 . . . . 55.740000000000002 109.005 179.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -63.47 -38.37 90.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.597 -1.26 . . . . 51.710000000000001 107.597 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 45.1 p -54.81 -38.84 67.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 45.859999999999999 109.901 179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.803 ' HG3' ' O ' ' A' ' 15' ' ' HOH . 50.8 tt0 -82.77 -31.07 28.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 120.571 -0.451 . . . . 51.43 109.809 178.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.818 HD23 ' HE3' ' A' ' 596' ' ' MET . 28.1 mt -65.84 -34.74 78.84 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.692 -1.595 . . . . 43.299999999999997 106.692 178.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.39 -35.04 78.52 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.342 -0.984 . . . . 44.840000000000003 108.342 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -68.42 -42.49 78.87 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.107 -0.951 . . . . 40.640000000000001 110.636 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 596' ' ' MET . . . . . 0.818 ' HE3' HD23 ' A' ' 593' ' ' LEU . 61.0 mtm -65.96 -32.68 74.3 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 116.149 -0.478 . . . . 51.149999999999999 111.409 -178.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 597' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.31 -5.61 24.26 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.566 0.541 . . . . 48.869999999999997 110.808 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.49 -9.8 9.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 63.799999999999997 109.915 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 23.7 t -128.92 101.49 19.92 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.85 -0.613 . . . . 45.469999999999999 110.373 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.03 -49.97 9.96 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 123.075 2.517 . . . . 41.649999999999999 112.483 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -53.43 -39.12 64.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.86 -0.793 . . . . 56.18 108.86 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' SER . . . . . . . . . . . . . 19.0 m -68.95 -45.64 70.23 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.488 0.661 . . . . 45.43 110.739 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.622 ' O ' HG23 ' A' ' 607' ' ' VAL . 51.1 tp -60.3 -50.96 71.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.118 -0.697 . . . . 40.210000000000001 109.118 178.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.582 ' HA ' ' HE1' ' A' ' 573' ' ' MET . 43.6 ttp180 -58.18 -46.41 85.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.347 0.594 . . . . 43.270000000000003 111.113 -178.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 29.7 t -56.61 -42.23 78.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.772 -0.649 . . . . 44.969999999999999 110.661 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -70.48 -38.55 74.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.999 0.428 . . . . 40.32 110.345 -179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 603' ' ' LEU . 93.3 t -61.77 -50.32 80.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 115.903 -0.589 . . . . 43.68 110.981 179.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -58.31 -34.58 70.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.602 -0.439 . . . . 45.82 111.474 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.31 -50.08 67.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.361 -1.348 . . . . 49.869999999999997 107.361 -179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 614' ' ' LEU . . . -58.93 -38.89 80.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.256 -0.429 . . . . 39.289999999999999 110.987 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 615' ' ' GLN . 45.0 t -62.97 -43.46 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.077 0.465 . . . . 38.780000000000001 111.312 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.64 54.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.284 0.846 . . . . 40.25 113.284 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.07 -41.49 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.734 0 CA-C-O 121.781 0.801 . . . . 42.490000000000002 111.377 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 618' ' ' GLN . 0.7 OUTLIER -56.56 -46.29 80.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.631 -1.168 . . . . 52.009999999999998 110.422 179.576 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 611' ' ' VAL . 83.6 mt-30 -72.96 -38.46 66.73 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 113.644 0.979 . . . . 60.369999999999997 113.644 -179.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.85 87.99 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.465 -0.939 . . . . 48.43 108.465 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.549 ' O ' ' HB3' ' A' ' 620' ' ' LYS . 37.1 t60 -64.88 -60.53 2.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.427 -0.909 . . . . 50.630000000000003 110.172 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 614' ' ' LEU . 77.5 mt-30 -49.76 -45.73 49.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.424 -0.807 . . . . 69.260000000000005 112.085 -179.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.26 74.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.343 -0.614 . . . . 64.209999999999994 109.343 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 620' ' ' LYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 617' ' ' HIS . 79.8 tttt -63.48 -52.5 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.061 -0.718 . . . . 72.400000000000006 109.061 179.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' GLU . . . . . 0.776 ' HA ' HE21 ' A' ' 624' ' ' GLN . 41.2 mm-40 -63.91 -3.8 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.811 -0.631 . . . . 79.650000000000006 111.669 179.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -97.35 -43.69 7.2 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.314 0.487 . . . . 83.420000000000002 112.314 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.68 80.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 88.510000000000005 111.434 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 624' ' ' GLN . . . . . 0.776 HE21 ' HA ' ' A' ' 621' ' ' GLU . 2.4 pp0? -94.9 -54.84 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.036 1.124 . . . . 95.230000000000004 114.036 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.695 ' HB3' ' O ' ' A' ' 621' ' ' GLU . 54.1 tttm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.244 -0.884 . . . . 91.480000000000004 110.699 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 120.321 0.105 . . . . 62.140000000000001 110.89 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLN . . . . . 0.411 ' O ' HD12 ' B' ' 69' ' ' LEU . . . -131.03 128.33 40.09 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.651 -0.87 . . . . 59.170000000000002 108.651 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.411 HD12 ' O ' ' B' ' 68' ' ' GLN . 6.7 mp -118.17 145.57 44.84 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.804 1.779 . . . . 52.369999999999997 115.804 -178.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -98.86 113.43 25.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.58 -0.737 . . . . 44.479999999999997 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 9.7 m -72.05 -9.57 13.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 N-CA-C 112.631 0.604 . . . . 41.340000000000003 112.631 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.74 15.27 29.17 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.844 0.683 . . . . 41.75 112.844 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 141.3 57.99 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.876 -0.787 . . . . 42.770000000000003 108.876 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -65.59 131.28 94.77 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-N 116.39 -0.368 . . . . 58.75 110.086 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -59.78 146.06 96.59 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.284 1.323 . . . . 43.18 110.614 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.77 154.05 20.59 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.049 -1.093 . . . . 40.210000000000001 108.049 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.73 125.48 18.42 Favored Pre-proline 0 C--O 1.238 0.495 0 CA-C-O 121.561 0.696 . . . . 49.859999999999999 109.801 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -56.41 164.88 4.93 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 124.008 3.139 . . . . 48.68 114.914 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 117.342 -1.313 . . . . 53.009999999999998 111.093 179.506 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . 0.803 ' O ' ' HG3' ' A' ' 592' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 628' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_